[3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]-[1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazol-5-yl]methanone

C20H30N6O — CID 97197985

IUPAC[3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]-[1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazol-5-yl]methanone
SMILESCc1nn(C)c(C)c1-c1cc(C(=O)N2CC(N3CCCC[C@H]3C)C2)n(C)n1
InChIInChI=1S/C20H30N6O/c1-13-8-6-7-9-26(13)16-11-25(12-16)20(27)18-10-17(22-24(18)5)19-14(2)21-23(4)15(19)3/h10,13,16H,6-9,11-12H2,1-5H3/t13-/m1/s1
InChIKeyUPEMLFMRODQWOX-CYBMUJFWSA-N
MW370.50 g/mol
LogP2.14
Rot. Bonds3

About [3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]-[1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazol-5-yl]methanone

[3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]-[1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazol-5-yl]methanone (PubChem CID 97197985) has the molecular formula C20H30N6O and a molecular weight of 370.50 g/mol. Its IUPAC name is [3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]-[1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazol-5-yl]methanone.

Molecular Properties

Compound Name[3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]-[1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazol-5-yl]methanone
PubChem CID97197985
Molecular FormulaC20H30N6O
Molecular Weight370.50 g/mol
Exact Mass370.25
IUPAC Name[3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]-[1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazol-5-yl]methanone
SMILESCc1nn(C)c(C)c1-c1cc(C(=O)N2CC(N3CCCC[C@H]3C)C2)n(C)n1
InChIInChI=1S/C20H30N6O/c1-13-8-6-7-9-26(13)16-11-25(12-16)20(27)18-10-17(22-24(18)5)19-14(2)21-23(4)15(19)3/h10,13,16H,6-9,11-12H2,1-5H3/t13-/m1/s1
InChIKeyUPEMLFMRODQWOX-CYBMUJFWSA-N
XLogP2.14
TPSA59.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazol-5-yl]-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]methanone
CID 95719545
(4-chloro-2-hydroxyphenyl)-[3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]methanone
CID 97189656
[3-(2-methylpiperidin-1-yl)azetidin-1-yl]-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone
CID 146038738
(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone
CID 77087976
[1,3-dimethyl-6-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 51854340
1,3,5-trimethyl-4-[4-[3-(2-methylpyrrolidin-1-yl)cyclobutyl]phenyl]pyrazole
CID 16666835
[3-(2-amino-6-methylpyrimidin-4-yl)phenyl]-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone
CID 119067455
[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
CID 99954757
(3,5-dimethyl-1-benzofuran-2-yl)-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone
CID 70731536
[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]-(3,5,7-trimethyl-1H-indol-2-yl)methanone
CID 97122706
[1-(3-hydroxyphenyl)-3,5-dimethylpyrazol-4-yl]-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]methanone
CID 71040672
(3,5-dimethylpiperidin-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone
CID 56725204

Frequently Asked Questions

What is the IUPAC name of [3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]-[1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazol-5-yl]methanone?
The IUPAC name of [3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]-[1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazol-5-yl]methanone (CID 97197985) is [3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]-[1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazol-5-yl]methanone.
What is the SMILES notation for [3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]-[1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazol-5-yl]methanone?
The canonical SMILES for [3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]-[1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazol-5-yl]methanone is Cc1nn(C)c(C)c1-c1cc(C(=O)N2CC(N3CCCC[C@H]3C)C2)n(C)n1.
What is the InChIKey of [3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]-[1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazol-5-yl]methanone?
The InChIKey is UPEMLFMRODQWOX-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H30N6O/c1-13-8-6-7-9-26(13)16-11-25(12-16)20(27)18-10-17(22-24(18)5)19-14(2)21-23(4)15(19)3/h10,13,16H,6-9,11-12H2,1-5H3/t13-/m1/s1.
What are the key properties of [3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]-[1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazol-5-yl]methanone?
[3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]-[1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazol-5-yl]methanone has a molecular weight of 370.50 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]-[1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazol-5-yl]methanone is sourced from PubChem (CID 97197985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).